#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7g n GLN 3 N 0.00 0.08 -0.00 1.43 10.64 -1.26 -4.72 117.38 123.54 3h7g n GLN 3 Ca 0.00 0.01 0.02 0.00 -1.83 0.00 0.00 57.00 55.20 3h7g n GLN 3 Cb 0.00 -1.53 -0.04 0.00 -0.86 0.00 0.00 30.24 27.81 3h7g n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 3h7g n ILE 4 N -1.63 0.01 -1.79 -0.39 -5.35 -1.26 -5.05 119.36 103.90 3h7g n ILE 4 Ca 0.04 -0.11 -0.42 0.00 -0.27 0.00 0.00 62.75 62.00 3h7g n ILE 4 Cb 0.36 0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 3h7g n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3h7g s ARG 5 N -2.31 4.15 -0.18 6.28 3.52 -1.26 -4.89 118.95 124.27 3h7g s ARG 5 Ca -0.02 2.54 -0.08 0.00 -0.13 0.00 0.00 55.73 58.04 3h7g s ARG 5 Cb 0.03 -3.17 0.07 0.00 -1.56 0.00 0.00 34.95 30.32 3h7g s ARG 5 CO 0.19 -0.73 0.41 -1.14 -0.81 0.00 0.00 175.30 173.22 3h7g s GLN 6 N 1.40 0.35 -1.66 5.12 0.74 -1.26 -4.83 119.66 119.51 3h7g s GLN 6 Ca 0.74 0.91 -0.02 0.00 0.05 0.00 0.00 55.36 57.04 3h7g s GLN 6 Cb -0.47 0.15 0.00 0.00 1.10 0.00 0.00 33.01 33.79 3h7g s GLN 6 CO 0.32 -0.21 0.30 -1.71 -0.55 0.00 0.00 175.29 173.45 3h7g n ASN 7 N 4.86 -5.98 -3.98 6.67 5.15 -1.26 -4.97 115.26 115.74 3h7g n ASN 7 Ca -0.15 -0.15 -0.31 0.00 -0.60 0.00 0.00 54.58 53.37 3h7g n ASN 7 Cb 0.52 -4.91 -0.15 0.00 -0.53 0.00 0.00 39.78 34.71 3h7g n ASN 7 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3h7g s TYR 8 N -3.10 3.30 0.61 1.20 5.04 -1.26 -4.82 117.35 118.32 3h7g s TYR 8 Ca 0.15 -2.62 -0.16 0.00 -2.44 0.00 0.00 57.07 52.01 3h7g s TYR 8 Cb -0.07 -2.48 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 3h7g s TYR 8 CO 0.19 -0.91 1.09 -1.54 -1.34 0.00 0.00 175.55 173.03 3h7g s SER 9 N 1.07 5.51 0.41 4.32 1.04 -1.26 -4.90 113.70 119.90 3h7g s SER 9 Ca 0.06 1.93 0.11 0.00 0.48 0.00 0.00 55.95 58.53 3h7g s SER 9 Cb -0.19 -2.55 0.88 0.00 0.10 0.00 0.00 66.02 64.27 3h7g s SER 9 CO -0.09 -1.35 1.96 0.71 0.98 0.00 0.00 173.24 175.44 3h7g h THR 10 N 0.37 1.15 -0.19 2.02 1.35 -1.99 -1.32 112.91 114.31 3h7g h THR 10 Ca -0.47 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 3h7g h THR 10 Cb 1.23 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3h7g h THR 10 CO 0.56 0.21 0.10 -0.33 -0.25 0.00 0.00 175.52 175.80 3h7g h GLU 11 N 0.15 0.27 -0.35 4.72 3.07 -2.00 -1.02 114.58 119.42 3h7g h GLU 11 Ca 0.03 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3h7g h GLU 11 Cb 0.33 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3h7g h GLU 11 CO 0.02 0.28 -0.05 0.28 -1.40 0.00 0.00 179.01 178.14 3h7g h VAL 12 N 0.19 1.27 -0.47 3.13 2.07 -1.89 -1.51 116.25 119.04 3h7g h VAL 12 Ca 0.07 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.59 3h7g h VAL 12 Cb 0.09 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3h7g h VAL 12 CO -0.01 0.35 0.04 -0.08 0.02 0.00 0.00 177.57 177.90 3h7g h GLU 13 N 0.46 0.16 -0.60 1.57 4.81 -1.08 0.16 114.58 120.06 3h7g h GLU 13 Ca 0.09 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3h7g h GLU 13 Cb 0.53 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3h7g h GLU 13 CO 0.03 0.11 0.18 0.00 -0.73 0.00 0.00 179.01 178.59 3h7g h ALA 14 N 1.39 0.78 -0.45 2.92 0.00 -1.07 -2.42 119.26 120.42 3h7g h ALA 14 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3h7g h ALA 14 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h7g h ALA 14 CO -0.35 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 3h7g h ALA 15 N 1.05 1.15 -0.42 0.00 0.00 -0.49 -1.68 119.26 118.87 3h7g h ALA 15 Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h7g h ALA 15 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3h7g h ALA 15 CO -0.00 0.55 0.08 0.28 0.00 0.00 0.00 179.25 180.16 3h7g h VAL 16 N 0.69 1.24 -0.95 0.00 2.07 -0.54 0.06 116.25 118.82 3h7g h VAL 16 Ca 0.14 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.85 3h7g h VAL 16 Cb 0.44 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3h7g h VAL 16 CO 0.02 0.30 0.61 0.78 0.02 0.00 0.00 177.57 179.30 3h7g h ASN 17 N 0.55 1.00 -0.59 0.57 2.35 -1.01 -0.18 115.58 118.28 3h7g h ASN 17 Ca 0.13 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 3h7g h ASN 17 Cb 0.35 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3h7g h ASN 17 CO 0.01 0.67 -0.00 0.03 -1.65 0.00 0.00 177.43 176.48 3h7g h ARG 18 N 1.15 1.05 -0.48 0.81 3.08 -1.01 -2.22 114.38 116.77 3h7g h ARG 18 Ca 0.39 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3h7g h ARG 18 Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3h7g h ARG 18 CO -0.14 1.02 -0.05 1.25 -1.07 0.00 0.00 179.97 180.98 3h7g h LEU 19 N 0.96 0.80 -0.44 3.04 5.85 -0.36 -0.88 115.31 124.27 3h7g h LEU 19 Ca 0.17 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3h7g h LEU 19 Cb 0.55 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3h7g h LEU 19 CO 0.03 0.90 0.20 0.58 -0.34 0.00 0.00 178.44 179.81 3h7g h VAL 20 N 0.76 0.93 -0.66 1.05 2.07 -0.82 -0.47 116.25 119.12 3h7g h VAL 20 Ca 0.14 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3h7g h VAL 20 Cb 0.53 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3h7g h VAL 20 CO 0.03 0.07 0.43 -1.13 0.02 0.00 0.00 177.57 176.99 3h7g h ASN 21 N 0.41 0.74 -0.70 0.57 -0.73 -0.78 -0.47 115.58 114.62 3h7g h ASN 21 Ca 0.20 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.30 3h7g h ASN 21 Cb 0.13 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.51 3h7g h ASN 21 CO -0.16 0.53 0.25 -0.07 -0.37 0.00 0.00 177.43 177.61 3h7g h LEU 22 N 0.87 0.99 -0.51 0.34 3.38 -0.68 0.10 115.31 119.80 3h7g h LEU 22 Ca 0.25 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 3h7g h LEU 22 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3h7g h LEU 22 CO -0.06 0.91 -0.09 1.88 0.09 0.00 0.00 178.44 181.16 3h7g h TYR 23 N 1.01 1.08 -0.56 1.13 0.05 -0.75 -0.78 116.97 118.15 3h7g h TYR 23 Ca 0.23 -0.22 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3h7g h TYR 23 Cb 0.26 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 3h7g h TYR 23 CO 0.02 1.02 -0.05 -0.07 -1.05 0.00 0.00 178.16 178.04 3h7g h LEU 24 N 0.83 0.99 -0.78 3.88 3.38 -0.81 -0.66 115.31 122.13 3h7g h LEU 24 Ca 0.13 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3h7g h LEU 24 Cb 0.65 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3h7g h LEU 24 CO 0.05 1.06 0.30 -0.09 0.09 0.00 0.00 178.44 179.85 3h7g h ARG 25 N 0.91 1.18 -0.42 1.13 2.43 -0.67 -0.93 114.38 118.00 3h7g h ARG 25 Ca 0.16 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3h7g h ARG 25 Cb 0.59 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3h7g h ARG 25 CO 0.04 0.96 0.27 0.00 -1.51 0.00 0.00 179.97 179.73 3h7g h ALA 26 N 1.16 0.53 -0.59 2.80 0.00 -0.85 -0.31 119.26 122.00 3h7g h ALA 26 Ca 0.26 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3h7g h ALA 26 Cb 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3h7g h ALA 26 CO -0.02 -0.02 0.23 1.03 0.00 0.00 0.00 179.25 180.47 3h7g h SER 27 N 0.56 0.26 -0.65 0.00 0.87 -0.72 -0.64 113.55 113.23 3h7g h SER 27 Ca 0.16 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 3h7g h SER 27 Cb -0.06 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3h7g h SER 27 CO -0.04 0.16 0.25 0.22 -0.53 0.00 0.00 176.83 176.89 3h7g h TYR 28 N 0.43 1.00 -0.69 2.24 3.20 -0.74 -0.52 116.97 121.88 3h7g h TYR 28 Ca 0.29 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3h7g h TYR 28 Cb 0.32 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3h7g h TYR 28 CO -0.15 0.79 0.44 1.15 -1.64 0.00 0.00 178.16 178.75 3h7g h THR 29 N 0.92 1.19 -0.12 1.81 2.02 -0.44 -1.76 112.91 116.52 3h7g h THR 29 Ca 0.22 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3h7g h THR 29 Cb 0.22 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3h7g h THR 29 CO -0.02 0.19 -0.33 1.88 0.37 0.00 0.00 175.52 177.61 3h7g h TYR 30 N 0.94 0.26 -0.47 3.16 0.05 -0.57 -0.00 116.97 120.34 3h7g h TYR 30 Ca 0.25 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3h7g h TYR 30 Cb -0.07 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3h7g h TYR 30 CO -0.02 0.54 0.30 1.25 -1.05 0.00 0.00 178.16 179.18 3h7g h LEU 31 N 0.20 0.54 -0.40 3.88 5.85 -0.66 0.03 115.31 124.75 3h7g h LEU 31 Ca 0.03 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3h7g h LEU 31 Cb 0.69 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3h7g h LEU 31 CO 0.05 0.41 0.01 -1.28 -0.34 0.00 0.00 178.44 177.29 3h7g h SER 32 N 0.63 0.68 -0.28 1.25 0.87 -0.79 -2.03 113.55 113.88 3h7g h SER 32 Ca 0.17 -0.30 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3h7g h SER 32 Cb -0.05 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.70 3h7g h SER 32 CO -0.03 0.81 0.08 -0.07 -0.53 0.00 0.00 176.83 177.09 3h7g h LEU 33 N 0.53 0.07 0.12 2.23 3.38 -0.83 -1.68 115.31 119.14 3h7g h LEU 33 Ca 0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3h7g h LEU 33 Cb 0.46 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3h7g h LEU 33 CO 0.02 0.08 -0.10 1.23 0.09 0.00 0.00 178.44 179.75 3h7g h GLY 34 N 0.20 -0.22 2.00 0.83 0.00 -0.83 -2.44 103.07 102.60 3h7g h GLY 34 Ca 0.13 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 3h7g h GLY 34 CO -0.14 -0.11 -0.23 0.74 0.00 0.00 0.00 176.54 176.80 3h7g h PHE 35 N -0.24 0.00 -0.29 5.60 -1.00 -1.26 -2.02 116.94 117.74 3h7g h PHE 35 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3h7g h PHE 35 Cb 0.22 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 3h7g h PHE 35 CO -0.11 0.23 0.16 -0.92 -1.61 0.00 0.00 178.31 176.06 3h7g h TYR 36 N 0.00 0.39 0.00 -0.55 3.20 -0.89 -2.33 116.97 116.79 3h7g h TYR 36 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3h7g h TYR 36 Cb 0.56 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3h7g h TYR 36 CO 0.00 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.02 3h7g n PHE 37 N -4.84 0.00 1.11 -3.82 3.72 -0.79 -1.95 117.46 110.89 3h7g n PHE 37 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h7g n PHE 37 Cb 0.07 -0.47 0.34 0.00 -0.94 0.00 0.00 39.48 38.48 3h7g n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3h7g n ASP 38 N -1.47 0.64 -4.77 4.37 2.03 -0.89 -1.39 116.55 115.06 3h7g n ASP 38 Ca 0.05 -0.44 -0.40 0.00 0.52 0.00 0.00 54.79 54.51 3h7g n ASP 38 Cb 0.19 0.14 0.01 0.00 -0.72 0.00 0.00 41.12 40.74 3h7g n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3h7g s ARG 39 N -2.79 3.90 0.58 -0.67 0.52 -0.82 -4.70 118.95 114.96 3h7g s ARG 39 Ca 0.17 2.48 0.31 0.00 -0.52 0.00 0.00 55.73 58.17 3h7g s ARG 39 Cb 0.18 -2.81 1.79 0.00 0.52 0.00 0.00 34.95 34.64 3h7g s ARG 39 CO 0.61 -0.67 2.22 0.38 0.02 0.00 0.00 175.30 177.86 3h7g h ASP 40 N 2.66 0.00 -0.45 0.23 2.03 -1.91 0.29 116.42 119.27 3h7g h ASP 40 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3h7g h ASP 40 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3h7g h ASP 40 CO 0.63 0.03 0.00 -0.90 -1.03 0.00 0.00 179.24 177.96 3h7g n ASP 41 N -3.71 2.60 0.05 4.15 3.85 -1.26 -4.42 116.55 117.80 3h7g n ASP 41 Ca -0.03 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 3h7g n ASP 41 Cb 0.12 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 3h7g n ASP 41 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3h7g n VAL 42 N 0.92 0.72 -3.37 2.12 0.31 -0.51 -5.09 118.33 113.42 3h7g n VAL 42 Ca 0.17 0.24 -0.18 0.00 -0.01 0.00 0.00 64.34 64.56 3h7g n VAL 42 Cb 0.42 -1.22 0.07 0.00 -0.91 0.00 0.00 33.84 32.20 3h7g n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h7g n ALA 43 N -3.22 -2.35 -3.87 3.52 0.00 0.92 -4.98 120.51 110.52 3h7g n ALA 43 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 3h7g n ALA 43 Cb 0.00 -4.53 -0.14 0.00 0.00 0.00 0.00 19.45 14.78 3h7g n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h7g s LEU 44 N -5.84 3.82 0.21 0.00 1.43 -0.49 -5.00 118.68 112.82 3h7g s LEU 44 Ca 0.32 -2.93 -0.10 0.00 -1.03 0.00 0.00 54.13 50.39 3h7g s LEU 44 Cb -0.05 -1.45 0.16 0.00 0.03 0.00 0.00 46.19 44.88 3h7g s LEU 44 CO 0.76 -0.23 1.86 -0.08 0.23 0.00 0.00 176.35 178.88 3h7g h GLU 45 N 6.51 1.06 -0.50 1.70 4.81 -1.94 -1.27 114.58 124.94 3h7g h GLU 45 Ca -0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3h7g h GLU 45 Cb 0.90 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3h7g h GLU 45 CO 0.63 0.74 0.33 0.78 -0.73 0.00 0.00 179.01 180.75 3h7g h GLY 46 N 1.07 0.71 0.77 1.92 0.00 -1.81 0.12 103.07 105.84 3h7g h GLY 46 Ca 0.28 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3h7g h GLY 46 CO -0.05 0.26 -0.30 -2.08 0.00 0.00 0.00 176.54 174.37 3h7g h VAL 47 N 0.68 1.38 -0.43 4.60 2.07 -1.58 -1.20 116.25 121.77 3h7g h VAL 47 Ca 0.18 -1.60 0.08 0.00 0.82 0.00 0.00 66.70 66.18 3h7g h VAL 47 Cb -0.07 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3h7g h VAL 47 CO -0.04 0.47 -0.00 0.00 0.02 0.00 0.00 177.57 178.02 3h7g h HIS 49 N 0.11 1.01 -0.14 0.00 3.86 -0.66 0.47 115.15 119.79 3h7g h HIS 49 Ca 0.21 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3h7g h HIS 49 Cb 0.31 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3h7g h HIS 49 CO -0.29 0.66 -0.00 0.35 0.86 0.00 0.00 177.93 179.51 3h7g h PHE 50 N 1.06 -0.01 -0.03 2.45 3.57 -0.81 -1.47 116.94 121.70 3h7g h PHE 50 Ca 0.28 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.61 3h7g h PHE 50 Cb -0.08 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3h7g h PHE 50 CO -0.01 -0.02 -0.78 0.74 -2.23 0.00 0.00 178.31 176.01 3h7g h PHE 51 N 0.05 0.39 -0.73 0.41 0.05 -1.09 -2.59 116.94 113.43 3h7g h PHE 51 Ca 0.07 -0.19 0.02 0.00 3.82 0.00 0.00 57.97 61.69 3h7g h PHE 51 Cb 0.08 -0.05 -0.04 0.00 2.00 0.00 0.00 35.95 37.94 3h7g h PHE 51 CO -0.15 0.95 0.47 -0.09 -0.18 0.00 0.00 178.31 179.31 3h7g h ARG 52 N 0.18 0.92 -0.73 1.51 2.43 -0.68 0.36 114.38 118.36 3h7g h ARG 52 Ca -0.03 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3h7g h ARG 52 Cb 1.37 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 3h7g h ARG 52 CO 0.12 0.61 0.20 1.49 -1.51 0.00 0.00 179.97 180.88 3h7g h GLU 53 N 0.94 1.16 -0.44 0.20 4.57 -1.15 -2.55 114.58 117.32 3h7g h GLU 53 Ca 0.28 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 3h7g h GLU 53 Cb -0.04 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 3h7g h GLU 53 CO -0.09 1.00 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.59 3h7g h LEU 54 N 1.10 0.77 -0.66 1.64 3.38 -1.01 -0.82 115.31 119.71 3h7g h LEU 54 Ca 0.23 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3h7g h LEU 54 Cb 0.34 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3h7g h LEU 54 CO -0.00 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.77 3h7g h ALA 55 N 1.19 0.88 -0.26 1.53 0.00 -0.60 -0.30 119.26 121.71 3h7g h ALA 55 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h7g h ALA 55 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3h7g h ALA 55 CO 0.03 0.02 0.11 1.49 0.00 0.00 0.00 179.25 180.90 3h7g h GLU 56 N 0.65 0.39 -0.73 0.00 4.81 -1.05 -2.03 114.58 116.62 3h7g h GLU 56 Ca 0.30 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3h7g h GLU 56 Cb 0.21 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3h7g h GLU 56 CO -0.19 0.42 0.44 0.93 -0.73 0.00 0.00 179.01 179.88 3h7g h GLU 57 N 0.27 0.81 -0.40 1.92 5.08 -0.66 -0.13 114.58 121.48 3h7g h GLU 57 Ca 0.09 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3h7g h GLU 57 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3h7g h GLU 57 CO -0.01 0.54 -0.31 0.87 -1.00 0.00 0.00 179.01 179.10 3h7g h LYS 58 N 0.84 0.88 -0.64 2.33 1.79 -0.97 -1.22 116.57 119.57 3h7g h LYS 58 Ca 0.31 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 3h7g h LYS 58 Cb 0.11 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 3h7g h LYS 58 CO -0.15 1.06 0.29 -0.09 -1.08 0.00 0.00 179.45 179.48 3h7g h ARG 59 N 0.74 0.94 -0.91 3.15 2.43 -0.97 -1.45 114.38 118.31 3h7g h ARG 59 Ca 0.08 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h7g h ARG 59 Cb 0.87 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 3h7g h ARG 59 CO 0.08 0.77 0.55 0.93 -1.51 0.00 0.00 179.97 180.79 3h7g h GLU 60 N 0.90 1.23 -0.22 0.20 5.08 -0.78 -0.87 114.58 120.12 3h7g h GLU 60 Ca 0.22 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3h7g h GLU 60 Cb 0.16 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3h7g h GLU 60 CO -0.02 0.86 0.14 0.78 -1.00 0.00 0.00 179.01 179.76 3h7g h GLY 61 N 1.26 0.31 0.71 -3.84 0.00 -0.81 -0.45 103.07 100.25 3h7g h GLY 61 Ca 0.33 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.59 3h7g h GLY 61 CO -0.06 0.12 0.41 0.00 0.00 0.00 0.00 176.54 177.01 3h7g h ALA 62 N 1.05 0.94 -0.52 3.60 0.00 -0.83 -1.49 119.26 122.02 3h7g h ALA 62 Ca 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3h7g h ALA 62 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h7g h ALA 62 CO -0.02 0.10 -0.01 0.93 0.00 0.00 0.00 179.25 180.26 3h7g h GLU 63 N 0.75 0.89 -0.63 0.00 5.08 -0.79 -0.83 114.58 119.04 3h7g h GLU 63 Ca 0.31 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3h7g h GLU 63 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3h7g h GLU 63 CO -0.17 0.89 0.15 -0.09 -1.00 0.00 0.00 179.01 178.79 3h7g h ARG 64 N 0.82 1.02 -0.73 2.33 2.43 -0.66 -0.71 114.38 118.89 3h7g h ARG 64 Ca 0.15 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3h7g h ARG 64 Cb 0.51 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3h7g h ARG 64 CO 0.03 0.92 0.41 -0.07 -1.51 0.00 0.00 179.97 179.75 3h7g h LEU 65 N 0.94 0.90 -0.52 3.80 3.38 -0.94 -0.99 115.31 121.89 3h7g h LEU 65 Ca 0.20 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3h7g h LEU 65 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3h7g h LEU 65 CO 0.00 0.73 0.05 -0.07 0.09 0.00 0.00 178.44 179.25 3h7g h LEU 66 N 1.00 0.85 -0.69 1.67 3.38 -0.85 0.02 115.31 120.69 3h7g h LEU 66 Ca 0.26 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3h7g h LEU 66 Cb 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3h7g h LEU 66 CO -0.04 0.92 0.42 0.50 0.09 0.00 0.00 178.44 180.32 3h7g h LYS 67 N 0.75 0.77 -0.49 1.13 3.64 -0.90 -2.31 116.57 119.17 3h7g h LYS 67 Ca 0.15 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3h7g h LYS 67 Cb 0.45 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3h7g h LYS 67 CO 0.02 0.51 0.00 1.98 -2.27 0.00 0.00 179.45 179.69 3h7g h MET 68 N 0.80 0.87 -0.44 1.90 4.05 -0.83 -0.34 114.93 120.94 3h7g h MET 68 Ca 0.29 -0.28 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 3h7g h MET 68 Cb 0.08 -0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.71 3h7g h MET 68 CO -0.13 0.91 -0.16 0.37 0.23 0.00 0.00 176.91 178.12 3h7g h GLN 69 N 0.73 -0.06 -0.32 0.39 5.75 -0.67 -0.65 115.11 120.28 3h7g h GLN 69 Ca 0.14 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.53 3h7g h GLN 69 Cb 0.51 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 3h7g h GLN 69 CO 0.02 -0.04 -0.28 -0.91 -2.65 0.00 0.00 178.83 174.97 3h7g h ASN 70 N -0.07 0.66 -0.57 -0.69 2.35 -1.18 -0.86 115.58 115.24 3h7g h ASN 70 Ca 0.21 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3h7g h ASN 70 Cb 0.39 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 3h7g h ASN 70 CO -0.48 0.91 0.38 1.56 -1.65 0.00 0.00 177.43 178.14 3h7g h GLN 71 N 0.56 0.61 -0.00 0.81 4.20 -0.14 -1.81 115.11 119.33 3h7g h GLN 71 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3h7g h GLN 71 Cb 0.76 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.41 3h7g h GLN 71 CO 0.06 0.40 -0.36 0.54 -0.67 0.00 0.00 178.83 178.81 3h7g n ARG 72 N -4.47 0.27 -0.66 1.46 5.12 -0.34 -4.94 116.66 113.09 3h7g n ARG 72 Ca 0.07 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3h7g n ARG 72 Cb 0.16 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 3h7g n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3h7g n GLY 73 N 1.44 0.66 3.83 -0.13 0.00 -0.68 -4.09 105.19 106.22 3h7g n GLY 73 Ca 0.08 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3h7g n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h7g s GLY 74 N -2.09 1.59 -0.24 -0.02 0.00 -0.36 -4.82 107.32 101.38 3h7g s GLY 74 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 44.72 44.15 3h7g s GLY 74 CO 0.00 -0.02 -0.02 -1.60 0.00 0.00 0.00 173.10 171.46 3h7g s ARG 75 N -5.38 3.25 0.16 2.90 3.52 -1.26 -4.28 118.95 117.86 3h7g s ARG 75 Ca 0.63 -0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 3h7g s ARG 75 Cb -0.13 -3.08 -0.09 0.00 -1.56 0.00 0.00 34.95 30.09 3h7g s ARG 75 CO 0.52 -0.27 1.42 0.00 -0.81 0.00 0.00 175.30 176.16 3h7g s ALA 76 N 1.46 3.63 -0.05 6.12 0.00 -1.26 -4.97 121.76 126.69 3h7g s ALA 76 Ca 0.04 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.22 3h7g s ALA 76 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.43 3h7g s ALA 76 CO -0.02 -0.65 -0.09 -0.51 0.00 0.00 0.00 175.76 174.48 3h7g s LEU 77 N 0.73 1.58 -0.03 0.00 1.43 -1.26 -5.14 118.68 115.98 3h7g s LEU 77 Ca 0.64 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.52 3h7g s LEU 77 Cb -0.39 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3h7g s LEU 77 CO 0.33 0.01 0.03 -0.36 0.23 0.00 0.00 176.35 176.59 3h7g s PHE 78 N 0.63 3.17 0.43 0.29 0.40 -1.26 -4.87 117.98 116.77 3h7g s PHE 78 Ca -0.11 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.44 3h7g s PHE 78 Cb -0.14 -1.73 -0.07 0.00 0.51 0.00 0.00 43.02 41.59 3h7g s PHE 78 CO 0.02 0.50 0.02 -0.65 0.70 0.00 0.00 175.22 175.80 3h7g s GLN 79 N -1.38 2.01 0.48 0.44 -1.52 -1.26 -5.11 119.66 113.33 3h7g s GLN 79 Ca 0.18 -2.14 -0.21 0.00 -1.95 0.00 0.00 55.36 51.24 3h7g s GLN 79 Cb -0.12 -1.64 -0.10 0.00 -0.22 0.00 0.00 33.01 30.94 3h7g s GLN 79 CO 0.09 -0.11 0.80 -0.25 -0.25 0.00 0.00 175.29 175.57 3h7g n ASP 80 N -1.03 0.23 -4.49 5.90 9.92 -1.26 -4.95 116.55 120.87 3h7g n ASP 80 Ca -0.07 0.90 -0.43 0.00 -0.53 0.00 0.00 54.79 54.67 3h7g n ASP 80 Cb 0.67 -1.27 -0.09 0.00 -0.64 0.00 0.00 41.12 39.79 3h7g n ASP 80 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3h7g s LEU 81 N -0.05 4.84 0.33 0.64 1.43 -1.26 -5.05 118.68 119.55 3h7g s LEU 81 Ca 0.67 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 3h7g s LEU 81 Cb -0.52 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 3h7g s LEU 81 CO 0.55 -0.54 1.33 -1.10 0.23 0.00 0.00 176.35 176.82 3h7g s GLN 82 N 2.07 4.33 0.71 1.70 -1.52 -1.26 -4.97 119.66 120.72 3h7g s GLN 82 Ca 0.11 2.25 -0.16 0.00 -1.95 0.00 0.00 55.36 55.61 3h7g s GLN 82 Cb -0.17 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 3h7g s GLN 82 CO 0.13 -0.23 1.05 0.36 -0.25 0.00 0.00 175.29 176.35 3h7g n LYS 83 N 0.94 0.60 -0.74 2.91 2.85 -1.26 -4.94 118.16 118.51 3h7g n LYS 83 Ca 0.01 0.26 -0.31 0.00 -1.05 0.00 0.00 58.31 57.22 3h7g n LYS 83 Cb 0.41 -2.30 0.16 0.00 -0.65 0.00 0.00 35.03 32.66 3h7g n LYS 83 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3h7g s PRO 84 N -3.39 1.09 0.39 -1.58 0.02 -1.26 -4.89 135.00 125.37 3h7g s PRO 84 Ca 0.75 1.57 0.28 0.00 0.02 0.00 0.00 61.00 63.62 3h7g s PRO 84 Cb -0.35 -1.73 1.11 0.00 0.02 0.00 0.00 34.50 33.55 3h7g s PRO 84 CO 0.48 -2.59 1.83 0.66 -0.33 0.00 0.00 177.00 177.05 3h7g h SER 85 N -1.77 0.00 -4.62 2.53 4.64 -1.98 -3.43 113.55 108.91 3h7g h SER 85 Ca -0.43 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.60 3h7g h SER 85 Cb 1.27 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.17 3h7g h SER 85 CO 0.42 0.00 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.55 3h7g s GLN 86 N -3.45 0.70 -0.07 4.77 -0.21 -1.26 -5.04 119.66 115.09 3h7g s GLN 86 Ca 0.03 -1.01 0.18 0.00 0.02 0.00 0.00 55.36 54.59 3h7g s GLN 86 Cb 0.09 -0.36 -0.23 0.00 1.00 0.00 0.00 33.01 33.51 3h7g s GLN 86 CO 0.48 0.05 0.45 -0.25 -2.12 0.00 0.00 175.29 173.90 3h7g n ASP 87 N 0.87 0.37 -4.13 5.90 10.43 -1.26 -4.93 116.55 123.79 3h7g n ASP 87 Ca -0.19 0.16 -0.21 0.00 2.57 0.00 0.00 54.79 57.13 3h7g n ASP 87 Cb 0.57 0.80 -0.14 0.00 1.84 0.00 0.00 41.12 44.19 3h7g n ASP 87 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3h7g s GLU 88 N -2.83 1.06 0.00 -1.24 2.02 -1.26 -4.99 118.70 111.46 3h7g s GLU 88 Ca -0.07 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.35 3h7g s GLU 88 Cb 0.09 -1.05 0.15 0.00 0.10 0.00 0.00 34.13 33.41 3h7g s GLU 88 CO 0.84 0.28 1.10 0.91 0.02 0.00 0.00 175.26 178.41 3h7g n TRP 89 N 2.35 0.22 -3.61 1.61 7.02 -1.26 -5.09 117.44 118.69 3h7g n TRP 89 Ca -0.16 -0.48 0.00 0.00 -1.02 0.00 0.00 57.50 55.85 3h7g n TRP 89 Cb 0.55 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 3h7g n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h7g n GLY 90 N 0.02 1.56 3.97 6.99 0.00 -1.26 -3.67 105.19 112.79 3h7g n GLY 90 Ca 0.06 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 3h7g n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h7g s THR 91 N 0.00 2.65 0.18 2.61 -4.23 -1.26 -4.90 115.64 110.70 3h7g s THR 91 Ca 0.00 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 3h7g s THR 91 Cb 0.00 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.94 3h7g s THR 91 CO 0.00 -0.01 1.69 0.74 -0.54 0.00 0.00 174.62 176.50 3h7g h THR 92 N -0.00 0.64 -0.64 3.99 2.02 -1.99 -1.02 112.91 115.90 3h7g h THR 92 Ca -0.42 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3h7g h THR 92 Cb 1.30 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3h7g h THR 92 CO 0.53 0.02 0.37 1.55 0.37 0.00 0.00 175.52 178.37 3h7g h PRO 93 N 0.12 0.87 -0.46 6.66 0.13 -1.95 0.09 132.00 137.47 3h7g h PRO 93 Ca 0.24 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3h7g h PRO 93 Cb 0.35 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 3h7g h PRO 93 CO -0.39 0.63 0.30 -0.44 -0.23 0.00 0.00 178.00 177.86 3h7g h ASP 94 N 0.89 0.53 -0.38 1.44 3.32 -1.63 -0.74 116.42 119.85 3h7g h ASP 94 Ca 0.23 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 3h7g h ASP 94 Cb -0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3h7g h ASP 94 CO -0.04 0.39 -0.09 0.00 -1.72 0.00 0.00 179.24 177.78 3h7g h ALA 95 N 1.16 0.52 -0.60 3.45 0.00 -0.73 -1.50 119.26 121.55 3h7g h ALA 95 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h7g h ALA 95 Cb -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3h7g h ALA 95 CO -0.04 0.38 0.19 1.98 0.00 0.00 0.00 179.25 181.76 3h7g h MET 96 N 0.53 0.91 -0.39 0.00 1.85 -0.80 -0.55 114.93 116.47 3h7g h MET 96 Ca 0.09 -0.17 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 3h7g h MET 96 Cb 0.60 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 3h7g h MET 96 CO 0.04 0.78 0.15 0.87 -0.40 0.00 0.00 176.91 178.35 3h7g h LYS 97 N 0.88 0.58 -0.91 0.39 1.57 -1.00 -1.40 116.57 116.69 3h7g h LYS 97 Ca 0.20 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3h7g h LYS 97 Cb 0.25 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3h7g h LYS 97 CO -0.01 0.56 0.58 0.00 -0.57 0.00 0.00 179.45 180.01 3h7g h ALA 98 N 1.00 1.22 -0.44 3.86 0.00 -0.85 -1.24 119.26 122.80 3h7g h ALA 98 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h7g h ALA 98 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h7g h ALA 98 CO -0.01 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.79 3h7g h ALA 99 N 1.40 0.58 -0.55 0.00 0.00 -0.82 -0.95 119.26 118.92 3h7g h ALA 99 Ca 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3h7g h ALA 99 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h7g h ALA 99 CO -0.14 0.21 0.23 0.82 0.00 0.00 0.00 179.25 180.36 3h7g h ILE 100 N 0.58 1.21 -0.47 0.00 2.04 -0.84 0.45 117.51 120.48 3h7g h ILE 100 Ca 0.15 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3h7g h ILE 100 Cb 0.23 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3h7g h ILE 100 CO -0.01 0.25 0.25 0.58 0.00 0.00 0.00 178.15 179.23 3h7g h VAL 101 N 0.74 0.99 -0.21 1.67 2.07 -1.05 -0.04 116.25 120.42 3h7g h VAL 101 Ca 0.18 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3h7g h VAL 101 Cb 0.17 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3h7g h VAL 101 CO -0.02 0.09 0.12 0.25 0.02 0.00 0.00 177.57 178.04 3h7g h LEU 102 N 0.50 0.27 -0.84 2.57 5.85 -0.80 -1.66 115.31 121.20 3h7g h LEU 102 Ca 0.20 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 3h7g h LEU 102 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3h7g h LEU 102 CO -0.13 0.26 0.06 -0.33 -0.34 0.00 0.00 178.44 177.96 3h7g h GLU 103 N 0.25 0.93 -0.55 1.25 4.39 -0.59 -1.71 114.58 118.54 3h7g h GLU 103 Ca 0.08 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 3h7g h GLU 103 Cb 0.05 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3h7g h GLU 103 CO -0.01 0.88 0.22 0.87 -1.16 0.00 0.00 179.01 179.81 3h7g h LYS 104 N 0.87 0.80 -0.39 2.33 1.57 -0.88 0.18 116.57 121.05 3h7g h LYS 104 Ca 0.17 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 3h7g h LYS 104 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3h7g h LYS 104 CO 0.01 0.65 -0.28 0.66 -0.57 0.00 0.00 179.45 179.92 3h7g h SER 105 N 0.79 0.87 -0.42 0.86 4.64 -0.72 0.65 113.55 120.22 3h7g h SER 105 Ca 0.19 -0.35 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 3h7g h SER 105 Cb 0.15 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3h7g h SER 105 CO -0.02 1.09 0.02 -0.07 -0.87 0.00 0.00 176.83 176.99 3h7g h LEU 106 N 0.71 0.71 -0.63 5.97 3.38 -0.78 -1.82 115.31 122.85 3h7g h LEU 106 Ca 0.08 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3h7g h LEU 106 Cb 0.83 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3h7g h LEU 106 CO 0.07 0.83 0.39 -1.13 0.09 0.00 0.00 178.44 178.69 3h7g h ASN 107 N 0.57 0.75 -0.91 -0.43 -1.24 -0.47 -0.04 115.58 113.81 3h7g h ASN 107 Ca 0.12 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 3h7g h ASN 107 Cb 0.45 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 3h7g h ASN 107 CO 0.02 0.57 0.50 -0.61 -1.29 0.00 0.00 177.43 176.62 3h7g h GLN 108 N 0.86 1.26 -0.75 6.67 5.75 -0.76 -0.58 115.11 127.55 3h7g h GLN 108 Ca 0.23 -0.14 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3h7g h GLN 108 Cb -0.05 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.22 3h7g h GLN 108 CO -0.05 0.91 0.32 0.00 -2.65 0.00 0.00 178.83 177.36 3h7g h ALA 109 N 1.28 1.13 -0.51 3.38 0.00 -0.66 0.67 119.26 124.56 3h7g h ALA 109 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h7g h ALA 109 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3h7g h ALA 109 CO -0.05 0.63 0.28 -0.07 0.00 0.00 0.00 179.25 180.04 3h7g h LEU 110 N 1.09 0.63 -0.74 0.00 3.38 -0.43 -1.00 115.31 118.25 3h7g h LEU 110 Ca 0.25 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3h7g h LEU 110 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3h7g h LEU 110 CO -0.02 0.54 0.17 -0.07 0.09 0.00 0.00 178.44 179.15 3h7g h LEU 111 N 0.67 1.07 -0.70 1.67 3.38 -0.66 0.14 115.31 120.88 3h7g h LEU 111 Ca 0.18 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3h7g h LEU 111 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3h7g h LEU 111 CO -0.03 1.02 0.26 0.44 0.09 0.00 0.00 178.44 180.22 3h7g h ASP 112 N 1.07 0.99 -0.41 -0.43 3.32 -0.69 -0.97 116.42 119.30 3h7g h ASP 112 Ca 0.22 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3h7g h ASP 112 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3h7g h ASP 112 CO 0.00 0.91 -0.11 0.25 -1.72 0.00 0.00 179.24 178.57 3h7g h LEU 113 N 1.01 0.85 -0.33 1.55 5.85 -0.74 -1.51 115.31 121.99 3h7g h LEU 113 Ca 0.23 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3h7g h LEU 113 Cb 0.25 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3h7g h LEU 113 CO -0.01 0.98 0.02 -0.74 -0.34 0.00 0.00 178.44 178.35 3h7g h HIS 114 N 0.78 0.03 -0.82 1.25 -0.00 -0.68 0.12 115.15 115.82 3h7g h HIS 114 Ca 0.13 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3h7g h HIS 114 Cb 0.62 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 3h7g h HIS 114 CO 0.04 -0.03 0.54 0.00 -0.00 0.00 0.00 177.93 178.48 3h7g h ALA 115 N 1.27 1.04 -0.27 5.26 0.00 -0.77 0.63 119.26 126.43 3h7g h ALA 115 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h7g h ALA 115 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h7g h ALA 115 CO -0.25 0.46 0.05 1.25 0.00 0.00 0.00 179.25 180.76 3h7g h LEU 116 N 1.12 0.42 -0.36 0.00 5.85 -0.86 -0.74 115.31 120.74 3h7g h LEU 116 Ca 0.30 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3h7g h LEU 116 Cb -0.12 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3h7g h LEU 116 CO -0.06 0.57 0.04 1.23 -0.34 0.00 0.00 178.44 179.87 3h7g h GLY 117 N 0.26 0.39 1.00 3.75 0.00 -0.28 0.27 103.07 108.45 3h7g h GLY 117 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3h7g h GLY 117 CO 0.00 -0.06 0.39 0.23 0.00 0.00 0.00 176.54 177.10 3h7g h SER 118 N 0.15 0.80 -0.49 0.19 0.87 -0.77 0.03 113.55 114.33 3h7g h SER 118 Ca 0.17 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3h7g h SER 118 Cb 0.22 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3h7g h SER 118 CO -0.26 0.64 0.24 0.00 -0.53 0.00 0.00 176.83 176.93 3h7g h ALA 119 N 1.19 1.43 -0.04 6.23 0.00 -0.55 -2.40 119.26 125.12 3h7g h ALA 119 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h7g h ALA 119 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3h7g h ALA 119 CO -0.04 0.44 0.00 1.04 0.00 0.00 0.00 179.25 180.69 3h7g n GLN 120 N -4.37 1.70 -3.62 0.00 1.13 0.03 -4.96 117.38 107.30 3h7g n GLN 120 Ca 0.04 -1.03 -0.27 0.00 -1.94 0.00 0.00 57.00 53.80 3h7g n GLN 120 Cb 0.13 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.06 3h7g n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h7g n ALA 121 N 0.25 -2.45 -3.79 -1.58 0.00 -0.12 -4.97 120.51 107.85 3h7g n ALA 121 Ca 0.18 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3h7g n ALA 121 Cb 0.36 -4.06 -0.10 0.00 0.00 0.00 0.00 19.45 15.65 3h7g n ALA 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h7g n ASP 122 N -2.83 3.39 0.25 0.00 -0.08 -0.50 -4.95 116.55 111.82 3h7g n ASP 122 Ca -0.12 -3.23 0.12 0.00 -1.51 0.00 0.00 54.79 50.04 3h7g n ASP 122 Cb 0.61 -0.81 0.63 0.00 2.34 0.00 0.00 41.12 43.89 3h7g n ASP 122 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3h7g h PRO 123 N 5.35 0.00 -0.46 -0.67 0.13 -1.93 -2.31 132.00 132.11 3h7g h PRO 123 Ca 0.16 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.24 3h7g h PRO 123 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3h7g h PRO 123 CO 0.77 0.17 0.10 1.25 -0.23 0.00 0.00 178.00 180.05 3h7g h HIS 124 N 0.00 0.78 -0.17 1.56 2.76 -1.97 -0.31 115.15 117.80 3h7g h HIS 124 Ca -0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3h7g h HIS 124 Cb 0.49 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3h7g h HIS 124 CO 0.00 0.72 0.11 1.25 -1.30 0.00 0.00 177.93 178.71 3h7g h LEU 125 N 0.62 0.18 -0.46 0.26 5.85 -1.84 -0.72 115.31 119.19 3h7g h LEU 125 Ca 0.14 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3h7g h LEU 125 Cb 0.34 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3h7g h LEU 125 CO 0.00 0.13 0.26 0.00 -0.34 0.00 0.00 178.44 178.50 3h7g h ASP 127 N 0.52 0.55 -0.20 0.00 3.58 -0.88 -0.72 116.42 119.28 3h7g h ASP 127 Ca 0.19 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.67 3h7g h ASP 127 Cb 0.04 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3h7g h ASP 127 CO -0.10 0.37 0.09 0.15 -2.88 0.00 0.00 179.24 176.87 3h7g h PHE 128 N 0.68 0.17 -0.54 0.28 3.04 -0.64 0.21 116.94 120.14 3h7g h PHE 128 Ca 0.27 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.14 3h7g h PHE 128 Cb 0.11 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 3h7g h PHE 128 CO -0.07 0.10 0.02 -0.07 -2.02 0.00 0.00 178.31 176.27 3h7g h LEU 129 N 0.20 0.91 -0.60 0.59 3.38 -1.00 -1.83 115.31 116.96 3h7g h LEU 129 Ca 0.08 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3h7g h LEU 129 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3h7g h LEU 129 CO -0.06 0.98 0.11 -0.33 0.09 0.00 0.00 178.44 179.23 3h7g h GLU 130 N 0.81 0.99 0.03 1.13 5.08 -0.87 -0.49 114.58 121.26 3h7g h GLU 130 Ca 0.15 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 3h7g h GLU 130 Cb 0.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3h7g h GLU 130 CO 0.02 0.93 -0.98 0.77 -1.00 0.00 0.00 179.01 178.75 3h7g h SER 131 N 0.90 0.21 0.00 1.42 0.02 -0.85 -3.37 113.55 111.86 3h7g h SER 131 Ca 0.18 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3h7g h SER 131 Cb 0.41 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3h7g h SER 131 CO 0.01 1.06 -0.30 1.41 -1.14 0.00 0.00 176.83 177.88 3h7g n HIS 132 N -3.55 0.00 0.00 3.45 8.25 -0.70 -4.94 115.22 117.74 3h7g n HIS 132 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3h7g n HIS 132 Cb 0.88 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3h7g n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3h7g n PHE 133 N -1.15 -0.05 0.01 4.41 3.01 -0.34 -4.73 117.46 118.61 3h7g n PHE 133 Ca 0.00 0.01 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 3h7g n PHE 133 Cb 0.05 0.24 -0.06 0.00 -0.01 0.00 0.00 39.48 39.70 3h7g n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3h7g h LEU 134 N 0.00 0.09 -0.53 4.37 3.38 -1.32 -1.05 115.31 120.25 3h7g h LEU 134 Ca 0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 3h7g h LEU 134 Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3h7g h LEU 134 CO 0.00 0.11 -0.70 -0.78 0.09 0.00 0.00 178.44 177.16 3h7g h ASP 135 N 0.06 0.26 -0.51 -0.43 -0.00 -1.84 -2.06 116.42 111.90 3h7g h ASP 135 Ca 0.03 -0.17 0.03 0.00 -0.00 0.00 0.00 57.03 56.92 3h7g h ASP 135 Cb 0.03 -0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.25 3h7g h ASP 135 CO -0.01 0.87 0.29 -0.33 -0.00 0.00 0.00 179.24 180.06 3h7g h GLU 136 N 0.15 0.55 -0.22 0.28 3.07 -1.79 0.28 114.58 116.90 3h7g h GLU 136 Ca -0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3h7g h GLU 136 Cb 1.24 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 3h7g h GLU 136 CO 0.11 0.36 0.09 0.93 -1.40 0.00 0.00 179.01 179.10 3h7g h GLU 137 N 0.56 0.32 -0.51 2.33 4.39 -1.11 -1.01 114.58 119.55 3h7g h GLU 137 Ca 0.22 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.89 3h7g h GLU 137 Cb 0.07 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3h7g h GLU 137 CO -0.12 0.37 0.30 0.28 -1.16 0.00 0.00 179.01 178.68 3h7g h VAL 138 N 0.20 1.03 -0.50 3.13 2.07 -1.04 -0.42 116.25 120.72 3h7g h VAL 138 Ca 0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3h7g h VAL 138 Cb 0.17 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3h7g h VAL 138 CO -0.01 0.11 0.28 0.11 0.02 0.00 0.00 177.57 178.08 3h7g h LYS 139 N 0.59 0.70 -0.45 1.57 1.57 -0.84 -1.49 116.57 118.22 3h7g h LYS 139 Ca 0.21 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3h7g h LYS 139 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3h7g h LYS 139 CO -0.10 0.54 0.14 1.25 -0.57 0.00 0.00 179.45 180.70 3h7g h LEU 140 N 0.67 0.65 -0.95 2.94 5.85 -0.79 -1.56 115.31 122.12 3h7g h LEU 140 Ca 0.18 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3h7g h LEU 140 Cb 0.04 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3h7g h LEU 140 CO -0.03 0.68 0.03 0.40 -0.34 0.00 0.00 178.44 179.18 3h7g h ILE 141 N 0.58 1.24 -0.45 4.05 2.04 -0.94 0.22 117.51 124.25 3h7g h ILE 141 Ca 0.14 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3h7g h ILE 141 Cb 0.26 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3h7g h ILE 141 CO -0.01 0.34 0.21 0.50 0.00 0.00 0.00 178.15 179.19 3h7g h LYS 142 N 0.75 0.66 -0.27 2.37 1.63 -0.96 0.42 116.57 121.17 3h7g h LYS 142 Ca 0.15 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3h7g h LYS 142 Cb 0.41 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3h7g h LYS 142 CO 0.01 0.57 0.16 -0.22 -3.45 0.00 0.00 179.45 176.52 3h7g h LYS 143 N 0.59 0.36 -0.76 1.90 3.64 -0.82 -0.87 116.57 120.61 3h7g h LYS 143 Ca 0.15 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3h7g h LYS 143 Cb 0.14 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3h7g h LYS 143 CO -0.02 0.29 0.48 0.52 -2.27 0.00 0.00 179.45 178.46 3h7g h MET 144 N 0.33 0.91 -0.45 1.90 2.86 -0.72 0.79 114.93 120.56 3h7g h MET 144 Ca 0.10 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3h7g h MET 144 Cb 0.02 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3h7g h MET 144 CO -0.02 0.60 0.25 0.78 1.06 0.00 0.00 176.91 179.58 3h7g h GLY 145 N 0.94 0.67 0.87 8.32 0.00 -0.60 1.00 103.07 114.27 3h7g h GLY 145 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.36 3h7g h GLY 145 CO -0.12 0.29 0.25 -0.55 0.00 0.00 0.00 176.54 176.41 3h7g h ASP 146 N 0.59 0.39 -0.09 0.19 3.45 -0.78 -0.86 116.42 119.30 3h7g h ASP 146 Ca 0.16 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 3h7g h ASP 146 Cb 0.05 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3h7g h ASP 146 CO -0.03 0.28 0.05 0.45 -1.57 0.00 0.00 179.24 178.43 3h7g h HIS 147 N 0.50 0.12 -0.82 4.55 3.86 -0.42 -1.89 115.15 121.04 3h7g h HIS 147 Ca 0.18 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 3h7g h HIS 147 Cb 0.03 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 3h7g h HIS 147 CO -0.08 0.11 0.50 1.25 0.86 0.00 0.00 177.93 180.58 3h7g h LEU 148 N 0.09 0.78 -0.71 2.43 5.85 -0.50 0.93 115.31 124.18 3h7g h LEU 148 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3h7g h LEU 148 Cb 0.03 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3h7g h LEU 148 CO -0.01 0.49 0.40 0.74 -0.34 0.00 0.00 178.44 179.73 3h7g h THR 149 N 0.91 1.21 -0.38 1.05 2.02 -0.90 0.31 112.91 117.13 3h7g h THR 149 Ca 0.36 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 3h7g h THR 149 Cb 0.19 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3h7g h THR 149 CO -0.18 0.23 -0.27 0.78 0.37 0.00 0.00 175.52 176.45 3h7g h ASN 150 N 0.97 0.88 -0.44 4.18 2.35 -0.53 -1.37 115.58 121.63 3h7g h ASN 150 Ca 0.25 -0.44 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3h7g h ASN 150 Cb 0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3h7g h ASN 150 CO -0.04 1.13 0.06 0.40 -1.65 0.00 0.00 177.43 177.33 3h7g h ILE 151 N 0.64 1.25 -0.86 2.81 2.04 -0.60 -1.77 117.51 121.02 3h7g h ILE 151 Ca 0.07 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3h7g h ILE 151 Cb 0.84 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3h7g h ILE 151 CO 0.07 0.32 0.46 1.56 0.00 0.00 0.00 178.15 180.56 3h7g h GLN 152 N 0.60 1.22 -0.61 2.37 4.20 -0.85 0.90 115.11 122.94 3h7g h GLN 152 Ca 0.13 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3h7g h GLN 152 Cb 0.40 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3h7g h GLN 152 CO 0.01 0.90 0.28 -0.09 -0.67 0.00 0.00 178.83 179.26 3h7g h ARG 153 N 1.21 0.86 0.21 1.46 2.43 -1.05 -2.38 114.38 117.12 3h7g h ARG 153 Ca 0.30 -0.12 -0.32 0.00 -0.81 0.00 0.00 59.98 59.04 3h7g h ARG 153 Cb 0.05 -0.16 0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3h7g h ARG 153 CO -0.05 0.68 -1.40 -0.07 -1.51 0.00 0.00 179.97 177.62 3h7g h LEU 154 N 0.86 0.73 0.00 3.80 3.38 -0.39 -3.26 115.31 120.43 3h7g h LEU 154 Ca 0.21 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3h7g h LEU 154 Cb 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h7g h LEU 154 CO -0.03 1.60 -0.24 -0.37 0.09 0.00 0.00 178.44 179.49 3h7g h VAL 155 N 0.14 0.00 0.00 1.22 -1.51 -0.85 -2.85 116.25 112.40 3h7g h VAL 155 Ca -0.22 -0.70 -0.05 0.00 -1.23 0.00 0.00 66.70 64.50 3h7g h VAL 155 Cb 2.10 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 3h7g h VAL 155 CO 0.25 0.00 -0.26 1.23 -1.23 0.00 0.00 177.57 177.57 3h7g h GLY 156 N 4.30 0.00 0.25 5.19 0.00 -1.54 -3.20 103.07 108.07 3h7g h GLY 156 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3h7g h GLY 156 CO 0.00 0.00 -0.07 1.76 0.00 0.00 0.00 176.54 178.23 3h7g h SER 157 N 0.00 -0.18 -2.45 0.19 0.02 -1.56 -3.48 113.55 106.10 3h7g h SER 157 Ca -0.00 -0.28 0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3h7g h SER 157 Cb 1.03 0.05 -0.29 0.00 0.14 0.00 0.00 62.40 63.33 3h7g h SER 157 CO 0.03 0.39 0.48 0.00 -1.14 0.00 0.00 176.83 176.60 3h7g s GLN 158 N -2.87 0.30 0.02 3.45 -2.07 -1.09 -5.09 119.66 112.31 3h7g s GLN 158 Ca -0.10 0.51 -0.26 0.00 -1.82 0.00 0.00 55.36 53.69 3h7g s GLN 158 Cb 0.00 0.07 -0.17 0.00 -1.09 0.00 0.00 33.01 31.82 3h7g s GLN 158 CO 0.36 -0.06 1.34 0.00 -1.32 0.00 0.00 175.29 175.61 3h7g h ALA 159 N 5.72 -0.42 0.17 2.60 0.00 -1.79 -0.57 119.26 124.96 3h7g h ALA 159 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h7g h ALA 159 Cb 1.18 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3h7g h ALA 159 CO 0.20 -0.60 -0.15 0.78 0.00 0.00 0.00 179.25 179.48 3h7g h GLY 160 N -0.69 -0.33 0.72 0.00 0.00 -1.93 -0.60 103.07 100.24 3h7g h GLY 160 Ca -0.04 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3h7g h GLY 160 CO 0.07 -0.15 0.25 -2.00 0.00 0.00 0.00 176.54 174.71 3h7g h LEU 161 N -0.34 0.35 -0.40 3.11 5.85 -1.93 -2.03 115.31 119.92 3h7g h LEU 161 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3h7g h LEU 161 Cb 0.32 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3h7g h LEU 161 CO -0.03 0.24 0.19 1.23 -0.34 0.00 0.00 178.44 179.74 3h7g h GLY 162 N 0.48 0.62 1.00 3.75 0.00 -0.80 -0.90 103.07 107.23 3h7g h GLY 162 Ca 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3h7g h GLY 162 CO -0.16 0.29 0.42 0.83 0.00 0.00 0.00 176.54 177.92 3h7g h GLU 163 N 0.51 0.93 -0.03 4.80 5.08 -0.90 -1.37 114.58 123.59 3h7g h GLU 163 Ca 0.14 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3h7g h GLU 163 Cb 0.12 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h7g h GLU 163 CO -0.02 0.66 0.02 -0.92 -1.00 0.00 0.00 179.01 177.75 3h7g h TYR 164 N 0.93 0.04 -0.65 4.33 5.03 -1.17 -2.31 116.97 123.16 3h7g h TYR 164 Ca 0.25 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.51 3h7g h TYR 164 Cb -0.04 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.20 3h7g h TYR 164 CO -0.02 0.03 0.24 -0.07 -1.32 0.00 0.00 178.16 177.03 3h7g h LEU 165 N 0.03 0.89 -0.32 2.82 3.38 -0.87 -0.77 115.31 120.47 3h7g h LEU 165 Ca 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3h7g h LEU 165 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3h7g h LEU 165 CO -0.00 0.81 0.03 0.15 0.09 0.00 0.00 178.44 179.52 3h7g h PHE 166 N 0.94 0.60 -0.57 1.13 3.57 -1.22 0.81 116.94 122.20 3h7g h PHE 166 Ca 0.22 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3h7g h PHE 166 Cb 0.22 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3h7g h PHE 166 CO 0.02 0.65 0.20 1.49 -2.23 0.00 0.00 178.31 178.44 3h7g h GLU 167 N 0.37 0.84 0.03 1.11 4.22 -1.03 -1.04 114.58 119.08 3h7g h GLU 167 Ca 0.10 -0.14 -0.25 0.00 0.08 0.00 0.00 59.36 59.14 3h7g h GLU 167 Cb 0.40 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.53 3h7g h GLU 167 CO 0.01 0.71 -1.00 0.00 -2.18 0.00 0.00 179.01 176.56 3h7g h ARG 168 N 0.83 0.63 0.00 1.92 2.47 -0.92 -3.28 114.38 116.03 3h7g h ARG 168 Ca 0.19 -0.71 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 3h7g h ARG 168 Cb 0.21 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3h7g h ARG 168 CO -0.01 1.30 -1.78 1.28 0.56 0.00 0.00 179.97 181.32 3h7g n LEU 169 N -3.92 0.00 -0.12 3.04 4.77 0.26 -4.64 117.00 116.39 3h7g n LEU 169 Ca -0.12 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.62 3h7g n LEU 169 Cb 0.86 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 3h7g n LEU 169 CO 0.55 0.03 -1.33 0.41 -1.33 0.00 0.00 177.39 175.71 3h7g n THR 170 N -2.11 1.35 -2.90 -5.08 -1.04 -0.42 -5.03 114.28 99.06 3h7g n THR 170 Ca -0.05 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.05 61.26 3h7g n THR 170 Cb 0.47 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 3h7g n THR 170 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3h7g s LEU 171 N -7.10 3.93 0.00 -4.42 1.43 -1.07 -5.02 118.68 106.44 3h7g s LEU 171 Ca -0.34 1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 3h7g s LEU 171 Cb 0.12 -4.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 3h7g s LEU 171 CO 0.46 -0.33 1.06 -0.54 0.23 0.00 0.00 176.35 177.23 3h7g s LYS 172 N -3.30 4.49 0.20 1.70 1.02 -1.26 -4.73 119.74 117.86 3h7g s LYS 172 Ca 0.57 1.53 -0.14 0.00 0.02 0.00 0.00 55.97 57.96 3h7g s LYS 172 Cb -0.10 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 3h7g s LYS 172 CO 0.19 -0.16 0.43 -3.38 -0.92 0.00 0.00 175.35 171.51 3h7g s HIS 173 N 1.22 0.17 -2.00 3.18 -3.43 -1.26 -4.36 115.29 108.80 3h7g s HIS 173 Ca 0.54 -0.52 0.23 0.00 -0.80 0.00 0.00 55.06 54.50 3h7g s HIS 173 Cb -0.23 0.20 1.35 0.00 -1.43 0.00 0.00 32.58 32.46 3h7g s HIS 173 CO 0.27 -0.87 1.72 -0.25 -2.00 0.00 0.00 174.74 173.61